2,3-bis(oxidanyl)butanedioic acid; 1-[3-(9H-thioxanthen-9-yl)propyl]pyrrolidine

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; 1-[3-(9H-thioxanthen-9-yl)propyl]pyrrolidine Openeye Name: 2,3-dihydroxybutanedioic acid; 1-[3-(9H-thioxanthen-9-yl)propyl]pyrrolidine CAS Name: 2,3-dihydroxybutanedioic acid; 1-[3-(9H-thioxanthen-9-yl)propyl]pyrrolidine IUPAC Name: 2,3-dihydroxybutanedioic acid; 1-[3-(9H-thioxanthen-9-yl)propyl]pyrrolidine Traditional Name: tartaric acid; 1-[3-(9H-thioxanthen-9-yl)propyl]pyrrolidine Formula: C24H29NO6S MolecularWeight: 459.55516

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCC2C3=CC=CC=C3SC4=CC=CC=C24.C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)CCCC2C3=CC=CC=C3SC4=CC=CC=C24.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C20H23NS.C4H6O6/c1-3-11-19-17(8-1)16(10-7-15-21-13-5-6-14-21)18-9-2-4-12-20(18)22-19;5-1(3(7)8)2(6)4(9)10/h1-4,8-9,11-12,16H,5-7,10,13-15H2;1-2,5-6H,(H,7,8)(H,9,10)